Bharath.K wrote:
Hello all....
i got a system crash at some steps..
after creating the new .trr file using command tpbconv and running MDS
by mdrun command the approximate finishing time is not showing.....
and also a warning is showing as
WARNING: this run may generate approximately 4583292 Mb of data....
is there any changes that i should do while giving the command and can i
continue with this warning.....
Are you using the -v flag with mdrun? That's the only way I know of to get
approximate completion time. If you are using -v, then it could just be that
your simulation is very slow, a behavior that depends on the size of the system,
available computing resources, node interconnect, etc.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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